CID 21718060

Dehydromatricaric acid

Structural Information

Molecular Formula

C₁₀H₆O₂

SMILES

CC#CC#CC#C/C=C/C(=O)O

InChI

InChI=1S/C10H6O2/c1-2-3-4-5-6-7-8-9-10(11)12/h8-9H,1H3,(H,11,12)/b9-8+

InChIKey

IXWGFASHDDQZDI-CMDGGOBGSA-N

Compound name

(E)-dec-2-en-4,6,8-triynoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 158.03677 Da
Monoisotopic Mass: 1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	159.04405	161.5
[M+Na]+	181.02599	169.6
[M-H]-	157.02949	163.9
[M+NH4]+	176.07059	169.7
[M+K]+	196.99993	166.1
[M+H-H2O]+	141.03403	150.2
[M+HCOO]-	203.03497	164.5
[M+CH3COO]-	217.05062	224.9
[M+Na-2H]-	179.01144	159.8
[M]+	158.03622	153.6
[M]-	158.03732	153.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe